{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39198e-10 0.0 0.0 ] "source-value" [ 5.39198 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] "source-value" [ 0.0815956 5.53401 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] "source-value" [ -0.109849 -0.0410552 5.55668 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.732104892971229e-09 -2.898096219228108e-09 8.932439074517952e-11 ] [ -1.706781130195411e-09 -7.770218551613011e-10 -1.426072256001133e-09 ] [ 1.777451538762279e-10 -3.608454709551162e-09 2.715798961136863e-09 ] [ -1.378900010625567e-09 4.979790844349933e-09 2.270474930691475e-09 ] [ 1.523636641107088e-09 -1.420403434681419e-09 1.596291024983491e-09 ] [ -2.417066401046895e-09 2.86530110575929e-09 -2.080069377157686e-09 ] [ 1.181200387807924e-09 -2.275714368676815e-09 -3.284934874960798e-09 ] [ -3.111939694112256e-09 3.134598637189582e-09 1.191870403449466e-10 ] ] "source-value" [ [ 3.577698500000001 -1.8088494000000004 0.055751900000000014 ] [ -1.0652890000000002 -0.4849789000000001 -0.8900843000000003 ] [ 0.11093980000000003 -2.2522203000000003 1.6950684000000005 ] [ -0.8606417000000002 3.1081410000000007 1.4171190000000002 ] [ 0.9509792000000002 -0.8865461000000002 0.9963265000000002 ] [ -1.5086142000000005 1.7883803000000005 -1.2982772000000002 ] [ 0.7372473000000002 -1.4203892000000002 -2.0502951000000005 ] [ -1.9423200000000005 1.9564626000000005 0.07439070000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.72143583863566e-18 "source-value" -35.710394 } }